MolNFT v1 · #67050 · protein
Structure of the cytosolic domain of E. COLI feob, GDP-bound form
3I8X · Ferrous iron transport protein B: “Structure of the cytosolic domain of E. COLI feob, GDP-bound form”. X-ray diffraction, 1 ligand (GDP), 8 pockets (best druggability 0.79). MolNFT v1 #67050 on GenesisL1: 3D structure, binding sites…
- PDB
- 3I8X
- Type
- protein
- Length
- 780 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferrous iron transport protein B
- UniProt
- P33650
- Ligands
- GDP
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferrous iron transport protein B | protein | 258 | 48% helix, 18% strand | P33650 |
| B, C | Ferrous iron transport protein B | protein | 261 | 47% helix, 18% strand | P33650 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 841 | 0.79 | 0.82 | 62 | empty |
| 2 | 717 | 0.75 | 0.80 | 80 | empty |
| 3 | 219 | 0.61 | 0.81 | 19 | empty |
| 4 | 265 | 0.56 | 0.77 | 34 | empty |
| 5 | 119 | 0.49 | 0.80 | 20 | empty |
Interfaces
3 interfaces between chains.
- A–C · 722 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 607 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 193 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3I8X · Structure of the cytosolic domain of E. coli FeoB, GDP-bound form · the same entry in another collection · chain A against A, TM-score 1.00
- P33650 · AlphaFold monomer V2.0 prediction for FE(2+) transporter feob (P33650) · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P33650
- Elsewhere: RCSB PDB 3I8X · PDBe 3I8X · UniProt P33650
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